N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine
TL;DR: N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine (CAS 35558-90-8) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine
Also Known As: NCIOpen2_004476, N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine, 1-<3-Nitro-benzylidenamino>-hexahydroazepin, (E)-N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 35558-90-8 |
|---|---|
| SMILES | C1CCCN(CC1)N=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | ZFNRWEDVQYPVDY-UHFFFAOYSA-N |
Product Overview
N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine (CAS 35558-90-8), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine.
Chemical Property Profile of N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine
Property Insights of N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine
The XLogP value of 3.2 indicates that N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine. Following Lipinski's Rule of Five, N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine?
The CAS number of N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine is 35558-90-8.
What is the molecular formula of N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine?
The molecular formula of N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine is C13H17N3O2.
What is the molecular weight of N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine?
The molecular weight of N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine is 247.13 g/mol.
Where can I buy N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine?
You can request a quote for N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for N-(azepan-1-yl)-1-(3-nitrophenyl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.